ethyl 4-cyano-3-methyl-5-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(phenylmethyl)sulfonylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(3-benzylsulfonylpropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-benzylsulfonylpropanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(3-benzylsulfonylpropanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2)C#N)C

InChI

InChI=1S/C19H20N2O5S2/c1-3-26-19(23)17-13(2)15(11-20)18(27-17)21-16(22)9-10-28(24,25)12-14-7-5-4-6-8-14/h4-8H,3,9-10,12H2,1-2H3,(H,21,22)